2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid

C12H14N2O6 — CID 107433916

IUPAC2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
SMILESCOc1cccc(C(=O)N(CC(N)=O)CC(=O)O)c1O
InChIInChI=1S/C12H14N2O6/c1-20-8-4-2-3-7(11(8)18)12(19)14(5-9(13)15)6-10(16)17/h2-4,18H,5-6H2,1H3,(H2,13,15)(H,16,17)
InChIKeySVSRGZOHOSGYEF-UHFFFAOYSA-N
MW282.25 g/mol
LogP-0.59
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid (PubChem CID 107433916) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
PubChem CID107433916
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
SMILESCOc1cccc(C(=O)N(CC(N)=O)CC(=O)O)c1O
InChIInChI=1S/C12H14N2O6/c1-20-8-4-2-3-7(11(8)18)12(19)14(5-9(13)15)6-10(16)17/h2-4,18H,5-6H2,1H3,(H2,13,15)(H,16,17)
InChIKeySVSRGZOHOSGYEF-UHFFFAOYSA-N
XLogP-0.59
TPSA130.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid
CID 107433700
2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 60832023
2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 79266531
2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide
CID 60655994
N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
CID 43136539
3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324907
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60806691
2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid
CID 107434703
5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide
CID 62921862
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
2-[(2,3-dimethoxybenzoyl)-prop-2-ynylamino]acetic acid
CID 79277898
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid (CID 107433916) is 2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid is COc1cccc(C(=O)N(CC(N)=O)CC(=O)O)c1O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid?
The InChIKey is SVSRGZOHOSGYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-20-8-4-2-3-7(11(8)18)12(19)14(5-9(13)15)6-10(16)17/h2-4,18H,5-6H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid has a molecular weight of 282.25 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 107433916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).